8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

C96H93BrCl4F8N40 — CID 158116351

IUPAC8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1.Clc1ccc2nc(N3CCCCC3)c3nncn3c2c1.Clc1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)n3ncnc3c2c1.Fc1cc(Br)cc2c1nc(N1CCCCC1)c1nnnn12.Fc1cc(Cl)cc2c1nc(N1CCCCC1)c1nnnn12
InChIInChI=1S/C15H14F3N5.C14H15ClN6.C14H14ClN5.C14H13F3N6.C13H12BrFN6.C13H12ClFN6.C13H13ClN6/c16-15(17,18)10-4-5-12-11(8-10)13-19-9-20-23(13)14(21-12)22-6-2-1-3-7-22;1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13;15-10-4-5-11-12(8-10)20-9-16-18-14(20)13(17-11)19-6-2-1-3-7-19;15-14(16,17)9-4-5-10-11(8-9)23-13(19-20-21-23)12(18-10)22-6-2-1-3-7-22;2*14-8-6-9(15)11-10(7-8)21-13(17-18-19-21)12(16-11)20-4-2-1-3-5-20;14-9-4-5-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2;2-3,8-9H,4-7H2,1H3;4-5,8-9H,1-3,6-7H2;4-5,8H,1-3,6-7H2;2*6-7H,1-5H2;4-5,8H,1-3,6-7H2
InChIKeyFRAZXIKBCUPXKS-UHFFFAOYSA-N
MW2180.78 g/mol
LogP17.91
Rot. Bonds7

About 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline

8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 158116351) has the molecular formula C96H93BrCl4F8N40 and a molecular weight of 2180.78 g/mol. Its IUPAC name is 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID158116351
Molecular FormulaC96H93BrCl4F8N40
Molecular Weight2180.78 g/mol
Exact Mass2176.63
IUPAC Name8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1.Clc1ccc2nc(N3CCCCC3)c3nncn3c2c1.Clc1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)n3ncnc3c2c1.Fc1cc(Br)cc2c1nc(N1CCCCC1)c1nnnn12.Fc1cc(Cl)cc2c1nc(N1CCCCC1)c1nnnn12
InChIInChI=1S/C15H14F3N5.C14H15ClN6.C14H14ClN5.C14H13F3N6.C13H12BrFN6.C13H12ClFN6.C13H13ClN6/c16-15(17,18)10-4-5-12-11(8-10)13-19-9-20-23(13)14(21-12)22-6-2-1-3-7-22;1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13;15-10-4-5-11-12(8-10)20-9-16-18-14(20)13(17-11)19-6-2-1-3-7-19;15-14(16,17)9-4-5-10-11(8-9)23-13(19-20-21-23)12(18-10)22-6-2-1-3-7-22;2*14-8-6-9(15)11-10(7-8)21-13(17-18-19-21)12(16-11)20-4-2-1-3-5-20;14-9-4-5-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2;2-3,8-9H,4-7H2,1H3;4-5,8-9H,1-3,6-7H2;4-5,8H,1-3,6-7H2;2*6-7H,1-5H2;4-5,8H,1-3,6-7H2
InChIKeyFRAZXIKBCUPXKS-UHFFFAOYSA-N
XLogP17.91
TPSA379.04 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds7
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002180.78
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6-bromo-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;4-chloro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine;6-(2,6-dimethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(5-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine;6-(2-methylbenzimidazol-1-yl)-2-N-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2,4-diamine
CID 157213669
1-[4,6-Bis(5-chloro-2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-5-chloro-2-methylbenzimidazole;1-[4,6-bis(2,5-dimethylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2,5-dimethylbenzimidazole;9-[4,6-bis(1-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-1-methylcarbazole;bis(3-[4,6-bis(2-methylimidazo[4,5-b]pyridin-3-yl)-1,3,5-triazin-2-yl]-2-methylimidazo[4,5-b]pyridine);1-[4,6-bis[2-(trifluoromethyl)benzimidazol-1-yl]-1,3,5-triazin-2-yl]-2-(trifluoromethyl)benzimidazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazole;2-methyl-1-[2-[2-(2-methylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 157458102
2-[3,5-Bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;2-[3-chloro-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-chloro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 157846236
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;bis(3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazo[4,5-h]quinoline);2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-h][1,7]naphthyridine
CID 157895805
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;3-fluoro-5-propan-2-ylpyridine;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;4-propan-2-yl-2H-benzotriazole;5-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 158828415
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 158840478
2-[3,5-Bis[3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-b]pyridine;2-[3,5-bis[3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenyl]-3-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine;2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine;8-[2-[3-bromo-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline;8-[2-[3-chloro-5-(3-quinolin-8-ylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridin-3-yl]quinoline
CID 159032278
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 160003142
Bis(2-[2-(8-chloro-5-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole);2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(5,8-dimethylimidazo[1,2-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methylbenzo[e]benzimidazole;methane;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 160142506
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;bis(3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazo[4,5-h]quinoline);2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-h][1,7]naphthyridine
CID 161698383
N-(4-bromophenyl)-2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine;N-(4-chlorophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-4-amine;2-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;2-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methylphenyl)pyrimidin-4-amine
CID 161745854
2-[2-(8-chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3aH-benzo[e]benzimidazole;3,4-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;3,5-dimethyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]benzo[e]benzimidazole;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a][1,5]naphthyridine;2-[2-(3-methylbenzo[e]benzimidazol-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine;2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
CID 157671048

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 158116351) is 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is CN1CCN(c2nc3ccc(Cl)cc3n3cnnc23)CC1.Clc1ccc2nc(N3CCCCC3)c3nncn3c2c1.Clc1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)c3nnnn3c2c1.FC(F)(F)c1ccc2nc(N3CCCCC3)n3ncnc3c2c1.Fc1cc(Br)cc2c1nc(N1CCCCC1)c1nnnn12.Fc1cc(Cl)cc2c1nc(N1CCCCC1)c1nnnn12.
What is the InChIKey of 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is FRAZXIKBCUPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5.C14H15ClN6.C14H14ClN5.C14H13F3N6.C13H12BrFN6.C13H12ClFN6.C13H13ClN6/c16-15(17,18)10-4-5-12-11(8-10)13-19-9-20-23(13)14(21-12)22-6-2-1-3-7-22;1-19-4-6-20(7-5-19)13-14-18-16-9-21(14)12-8-10(15)2-3-11(12)17-13;15-10-4-5-11-12(8-10)20-9-16-18-14(20)13(17-11)19-6-2-1-3-7-19;15-14(16,17)9-4-5-10-11(8-9)23-13(19-20-21-23)12(18-10)22-6-2-1-3-7-22;2*14-8-6-9(15)11-10(7-8)21-13(17-18-19-21)12(16-11)20-4-2-1-3-5-20;14-9-4-5-10-11(8-9)20-13(16-17-18-20)12(15-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2;2-3,8-9H,4-7H2,1H3;4-5,8-9H,1-3,6-7H2;4-5,8H,1-3,6-7H2;2*6-7H,1-5H2;4-5,8H,1-3,6-7H2.
What are the key properties of 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline?
8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 2180.78 g/mol, XLogP of 17.91, 7 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-6-fluoro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline;8-chloro-4-piperidin-1-yltetrazolo[1,5-a]quinoxaline;8-chloro-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;4-piperidin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;5-piperidin-1-yl-9-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 158116351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).